5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid

C12H8FNO2S — CID 115491187

IUPAC5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc(F)cc2)cn1
InChIInChI=1S/C12H8FNO2S/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,(H,15,16)
InChIKeyVJYIXIUWMDZAAX-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.07
Rot. Bonds3

About 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid

5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 115491187) has the molecular formula C12H8FNO2S and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID115491187
Molecular FormulaC12H8FNO2S
Molecular Weight249.27 g/mol
Exact Mass249.03
IUPAC Name5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc(F)cc2)cn1
InChIInChI=1S/C12H8FNO2S/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,(H,15,16)
InChIKeyVJYIXIUWMDZAAX-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid
CID 117032191
5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
CID 115491227
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carboxylic acid
CID 115491188
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
4-[(5-fluoro-2-pyridinyl)sulfanyl]benzoic acid
CID 61311578
1-[5-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119793
5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
1-(4-fluorophenyl)sulfanylisoquinoline-4-carboxylic acid
CID 106767741
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
5-[4-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxylic acid
CID 62960097

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid (CID 115491187) is 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid is O=C(O)c1ccc(Sc2ccc(F)cc2)cn1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is VJYIXIUWMDZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2S/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,(H,15,16).
What are the key properties of 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 115491187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).